SCHEMBL4244587

SCHEMBL4244587

CCN(CC)c1nc(C)nc(N)n1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
HSP90AA1 P07900 1/20 0.44
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSP90AB1 P08238 1/20 0.39
CRHR1 P34998 7/20 0.38
ALOX15 P16050 2/20 0.37
SLC29A1 Q99808 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2339204 0.86 MAPT (0.60) MAPTALDH1A1TSHRTDP1KMT2A
SCHEMBL2338559 0.86 MAPT (0.66) MAPTALDH1A1TSHRTDP1KMT2A
SCHEMBL14301471 0.84 TSHR (0.54) MAPTTSHRTDP1CRHR1ALOX15
SCHEMBL14023385 0.81 HSP90AA1 (0.42) MAPTHSP90AA1ALDH1A1TSHRKMT2A
SCHEMBL13250500 0.80 CRHR1 (0.49) MAPTHSP90AA1KMT2AHSP90AB1CRHR1
SCHEMBL28200287 0.79 HSP90AA1 (0.41) MAPTHSP90AA1ALDH1A1TSHRKMT2A
SCHEMBL5559394 0.77 MAPT (0.51) MAPTALDH1A1TSHRTDP1KMT2A
SCHEMBL571574 0.77 MAPT (0.51) MAPTHSP90AA1ALDH1A1TSHRTDP1
SCHEMBL1286917 0.77 MAPT (0.56) MAPTALDH1A1TSHRTDP1KMT2A
SCHEMBL5490930 0.77 MAPT (0.56) MAPTALDH1A1TSHRTDP1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090159539-A1 Catalytically Treating Water Contaminated With Halogenated Organic Compounds YEDA RESEARCH AND DEVELOPMENT CO., LTD. WEIZMANN INSTITUTE OF SCIENCE (IL) 2009-06-25 US disclosed
EP-1945318-A2 CATALYTICALLY TREATING WATER CONTAMINATED WITH HALOGENATED ORGANIC COMPOUNDS YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2008-07-23 EP disclosed
WO-2007054936-A2 CATALYTICALLY TREATING WATER CONTAMINATED WITH HALOGENATED ORGANIC COMPOUNDS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2007-05-18 WO disclosed
US-4587337-A Process for the preparation of 2-amino-s-triazines SKW TROSTBERG AKTIENGESELLSCHAFT (DE) 1986-05-06 US disclosed